6-(dodecylsulfanyl)-5H-purine 5441-35-0 CAS NO.5441-35-0

Min.Order: 1 Gram
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Product Details

Keywords

6-dodecylsulfanyl-5H-purine
5441-35-0
98%

Quick Details

ProName: 6-(dodecylsulfanyl)-5H-purine 5441-35...
CasNo: 5441-35-0
Molecular Formula: C17H28N4S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
6-(dodecylsulfanyl)-5H-purine
【Iupac name】
6-dodecylsulfanyl-7H-purine
【CAS Registry number】
5441-35-0
【Synonyms】
6-dodecylsulfanyl-7H-purine
AC1MWRWK
NSC21310
NSC-21310
5441-35-0
【Molecular Formula】
C17H28N4S (Products with the same molecular formula)
【Molecular Weight】
320.496
【Inchi】
InChI=1/C17H28N4S/c1-2-3-4-5-6-7-8-9-10-11-12-22-17-15-16(19-13-18-15)20-14-21-17/h13-15H,2-12H2,1H3
【Canonical SMILES】
CCCCCCCCCCCCSC1=NC=NC2=C1NC=N2
【MOL File】
5441-35-0.mol
Chemical and Physical Properties
【Density】
1.13g/cm3
【Boiling Point】
436.9°C at 760 mmHg
【Refractive Index】
1.594
【Flash Point】
218.1°C
【Computed Properties】
Molecular Weight:320.49602 [g/mol]
Molecular Formula:C17H28N4S
XLogP3:6.2
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:12
Tautomer Count:4
Exact Mass:320.203468
MonoIsotopic Mass:320.203468
Topological Polar Surface Area:79.8
Heavy Atom Count:22
Formal Charge:0
Complexity:277
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:12
Conformer Sampling RMSD:1.2
CID Conformer Count:295

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